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Information card for entry 2008306
Preview
Coordinates | 2008306.cif |
---|---|
Structure factors | 2008306.hkl |
Original IUCr paper | HTML |
Chemical name | bis(μ-benzenethiolato-S:S)hexacarbonyl-μ-iodo-dimolybdenum(I)(Mo—Mo) |
---|---|
Formula | C34 H46 I Mo2 N O6 S2 |
Calculated formula | C34 H46 I Mo2 N O6 S2 |
SMILES | [I-].[Mo]12([Mo]([S]1c1ccccc1)([S]2c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].[N+](CCCC)(CCCC)(CCCC)CCCC |
Title of publication | A mixed tribridging dimolybdenum(I) compound, bis(μ-benzenethiolato-<i>S</i>:<i>S</i>)hexacarbonyl-μ-iodo-dimolybdenum(I)(<i>Mo</i>—<i>Mo</i>) |
Authors of publication | Pan, Guohua; Zhuang, Botao; Chen, Jiutong |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1999 |
Journal volume | 55 |
Journal issue | 3 |
Pages of publication | 297 - 298 |
a | 9.8951 ± 0.0004 Å |
b | 16.243 ± 0.0007 Å |
c | 25.0787 ± 0.001 Å |
α | 90° |
β | 90.444 ± 0.001° |
γ | 90° |
Cell volume | 4030.7 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.09 |
Residual factor for significantly intense reflections | 0.051 |
Weighted residual factors for all reflections | 0.089 |
Weighted residual factors for significantly intense reflections | 0.078 |
Goodness-of-fit parameter for all reflections | 1.054 |
Goodness-of-fit parameter for significantly intense reflections | 1.124 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2008306.html
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